CID 507397

2-(2-fluorophenyl)-1-isopentyl-4-methoxy-benzimidazole

Structural Information

Molecular Formula
C19H21FN2O
SMILES
CC(C)CCN1C2=C(C(=CC=C2)OC)N=C1C3=CC=CC=C3F
InChI
InChI=1S/C19H21FN2O/c1-13(2)11-12-22-16-9-6-10-17(23-3)18(16)21-19(22)14-7-4-5-8-15(14)20/h4-10,13H,11-12H2,1-3H3
InChIKey
ZTCTWXLYSACWMY-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-4-methoxy-1-(3-methylbutyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1638 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17108 174.7
[M+Na]+ 335.15302 184.8
[M-H]- 311.15652 179.0
[M+NH4]+ 330.19762 190.0
[M+K]+ 351.12696 179.1
[M+H-H2O]+ 295.16106 164.7
[M+HCOO]- 357.16200 194.7
[M+CH3COO]- 371.17765 209.5
[M+Na-2H]- 333.13847 176.5
[M]+ 312.16325 178.7
[M]- 312.16435 178.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.